KEGG:C02153 Glucotropeolin ISISHOST03240423052D 1 1.00000 0.00000 1953 26 27 0 0 0 999 V2000 0.1448 -0.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0.1345 0.3931 0.0000 S 0 0 0 0 0 0 0 0 0 -0.5310 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0.8241 -0.8448 0.0000 C 0 0 1 0 0 0 0 0 0 0.1414 1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5310 -1.6241 0.0000 C 0 0 1 0 0 0 0 0 0 0.8207 -1.6276 0.0000 C 0 0 2 0 0 0 0 0 0 1.4931 -0.4621 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6000 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0.8172 1.5655 0.0000 N 0 0 0 0 0 0 0 0 0 0.1414 -2.0172 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2069 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 1.4897 -2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3414 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 1.4862 1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0.1345 -2.7966 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8931 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3379 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0862 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2207 1.4138 0.0000 S 0 0 3 0 0 0 0 0 0 -2.0793 -0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8310 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 2.8517 2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 1.5690 0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 2.9828 0.9345 0.0000 O 0 5 0 0 0 0 0 0 0 -2.8276 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 6 12 1 1 0 0 7 13 1 1 0 0 9 14 1 0 0 0 10 15 1 0 0 0 11 16 1 6 0 0 12 17 1 0 0 0 14 18 1 0 0 0 14 19 2 0 0 0 15 20 1 0 0 0 18 21 2 0 0 0 19 22 1 0 0 0 20 23 2 0 0 0 20 24 2 0 0 0 20 25 1 0 0 0 21 26 1 0 0 0 7 11 1 0 0 0 22 26 2 0 0 0 M CHG 1 25 -1 M END